%chk=000093328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093328

0 1
 I    6.115000     -0.5284000      -1.639400    
 I    2.462200       3.102000       1.635800    
 O    1.371400      -2.035700      0.4285000    
 O   -2.870200       2.140800     -0.1382000    
 O   -4.766700       2.144100      -1.368600    
 O    4.993500       2.091000     -0.1073000    
 N   -5.956000      0.4477000      0.5377000    
 C   -4.086600     -0.8552000     -0.3755000    
 C   -4.530100      0.4348000      0.3266000    
 C   -2.626100      -1.171000     -0.1602000    
 C   -1.686600     -0.6782000      -1.051300    
 C   -2.252500      -1.948000      0.9247000    
 C   5.4699998E-02  -1.750900      0.2350000    
 C  -0.3372000     -0.9702000     -0.8525000    
 C  -0.9030000      -2.239900       1.123600    
 C   -4.083600       1.645400     -0.4801000    
 C    2.280600     -0.9999000      0.2939000    
 C    2.001200      0.2222000      0.8783000    
 C    3.444900      -1.214200     -0.4214000    
 C    4.360900     -0.1708000     -0.5572000    
 C    2.917200       1.265500      0.7427000    
 C    4.097000       1.069100      2.4900001E-02
 H   -4.671800      -1.709700     -6.8999999E-03
 H   -4.297000     -0.8061000      -1.453000    
 H   -4.063700      0.5157000       1.316300    
 H   -1.981100     -7.8100003E-02  -1.907400    
 H   -2.990400      -2.331000       1.623700    
 H   0.3840000     -0.5962000      -1.574500    
 H  -0.6036000      -2.847800       1.973100    
 H   -6.231400     -0.3488000       1.111300    
 H   -6.442800      0.3312000     -0.3506000    
 H    1.094000      0.3693000       1.458600    
 H    3.629900      -2.188500     -0.8661000    
 H   -2.624500       2.918500     -0.6832000    
 H    5.747300       1.773800     -0.6338000    


%chk=000093328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093328

0 1
I 6.615547 -1.087891 -1.010450
I 2.922804 3.554463 0.642773
O 1.390579 -1.791969 0.478439
O -3.422012 2.041560 0.957904
O -4.319671 1.999441 -1.182512
O 5.513894 1.974717 -0.313845
N -6.315035 0.359017 0.198873
C -4.256920 -1.020482 -0.443840
C -4.869802 0.174675 0.383349
C -2.766967 -1.222028 -0.229456
C -1.816446 -0.598430 -1.079427
C -2.285922 -2.008739 0.849647
C 0.015548 -1.519844 0.230512
C -0.429585 -0.742870 -0.862715
C -0.904224 -2.160674 1.086667
C -4.201621 1.479554 -0.049235
C 2.375070 -0.810990 0.225330
C 2.167823 0.567215 0.469444
C 3.634913 -1.288152 -0.193375
C 4.684691 -0.368497 -0.369121
C 3.230977 1.467906 0.277539
C 4.513747 1.025847 -0.146228
H -4.819135 -1.925674 -0.144450
H -4.478550 -0.825607 -1.510267
H -4.659787 0.018092 1.454647
H -2.164798 0.000316 -1.929575
H -3.000113 -2.512311 1.512591
H 0.289117 -0.271748 -1.540810
H -0.526493 -2.767997 1.914424
H -6.905379 -0.365873 0.611066
H -6.588754 0.636589 -0.747807
H 1.194558 0.925141 0.813737
H 3.768012 -2.357684 -0.367542
H -3.001112 2.881616 0.624072
H 6.363948 1.543812 -0.602858


